SCHEMBL13852166

SCHEMBL13852166

CN1CCN(c2ccc(N)cc2I)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
KDM4E B2RXH2 4/20 0.70
RAD52 P43351 2/20 0.70
ALDH1A1 P00352 7/20 0.52
GAA P10253 5/20 0.52
ADRA2C P18825 3/20 0.52
PTK2B Q14289 3/20 0.52
GFER P55789 3/20 0.52
KMT2A Q03164 2/20 0.52
ESR2 Q92731 1/20 0.52
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 2/20 0.49
MAPK1 P28482 2/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
NR4A1 P22736 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10036440 0.85 MAPT (0.52) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL24301307 0.85 MAPT (0.52) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL156279 0.84 MAPT (0.96) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL29507813 0.84 MAPT (0.96) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL2306566 0.81 ALDH1A1 (0.69) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL187881 0.80 ALDH1A1 (0.71) MAPTKDM4ERAD52ALDH1A1GAA
Hydrochloric Acid SCHEMBL11751688 0.80 MAPT (0.72) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL29477783 0.80 ALDH1A1 (0.71) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL30600570 0.79 MAPT (0.87) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL15961335 0.79 MAPT (0.65) MAPTKDM4ERAD52ALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022041491-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE TARGETING EGFR MUTATION, PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学华西医院 2022-03-03 WO disclosed
US-20090124605-A1 Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-05-14 US disclosed
US-7482354-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090124605-A1 Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors MAP3K5, MAP3K9, MAP4K2 MAPT 2491/4885KDM4E 1015/4885RAD52 4168/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.